SCHEMBL3933284

SCHEMBL3933284

CCOC(=O)C(=O)c1c(C(=O)OC)n(C)c2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.39
ALOX5 P09917 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
PLA2G2A P14555 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SPR P35270 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3926579 0.93 TSHR (0.46) TSHRKMT2AMAPTALOX5POLB
SCHEMBL5786235 0.84 PABPC1 (0.40) KDM4EALDH1A1HPGDMAPK8MAPK9
SCHEMBL5787910 0.83 TSHR (0.46) TSHRKMT2AMAPTALOX5POLB
SCHEMBL4840274 0.80 MAPK8 (0.40) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5747438 0.80 MAPK8 (0.42) MAPTKDM4EALDH1A1HPGDMAPK8
SCHEMBL4843076 0.79 MAPK8 (0.39) TSHRKMT2AMAPTKDM4EALDH1A1
SCHEMBL3923885 0.79 ALOX15 (0.47) TSHRKMT2AMAPTPOLBGAA
SCHEMBL5235896 0.76 KMT2A (0.48) TSHRKMT2AMAPTPOLBGAA
SCHEMBL16110166 0.75 ALDH1A1 (0.55) TSHRKMT2AGAAKDM4EALDH1A1
SCHEMBL27605378 0.74 MAPK14 (0.39) MAPTKDM4EALDH1A1HPGDMAPK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275576-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-7569567-B2 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2009-08-04 US disclosed
US-20080249098-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide Derivatives, Their Preparation and Therapeutic Use SANOFI-AVENTIS (FR) 2008-10-09 US disclosed
US-7402682-B2 3-heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2008-07-22 US disclosed
US-20060241116-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-10-26 US disclosed
US-7109194-B2 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino[4, 5-b]indole-1-carboxamide derivatives their preparations and therapeutic use SANOFI-AVENTIS (FR) 2006-09-19 US disclosed
US-20050096321-A1 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino[4, 5-b]indole-1-carboxamide derivatives their preparations and therapeutic use SANOFI (FR) 2005-05-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241116-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE HTR3C, TPH1, IDO1 TSHR 1080/4885KMT2A 2409/4885MAPT 3189/4885
US-20050096321-A1 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino[4, 5-b]indole-1-carboxamide derivatives their preparations and therapeutic use HTR3C, CYP3A43, IDO1 TSHR 1311/4885KMT2A 2532/4885MAPT 3630/4885
US-20090275576-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE HTR3C, TPH1, IDO1 TSHR 1080/4885KMT2A 2409/4885MAPT 3189/4885
US-20080249098-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide Derivatives, Their Preparation and Therapeutic Use HTR3C, TPH1, IDO1 TSHR 1080/4885KMT2A 2409/4885MAPT 3189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.